SCH 900271   

GtoPdb Ligand ID: 8469

Synonyms: SCH900271
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 95.93
Molecular weight 276.11
XLogP 3.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O
Isomeric SMILES O=c1cc(CCCC2(C)CC2)c2c(o1)[nH]c(=O)[nH]c2=O
InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
InChI Key ARJKMWXLIHZLQZ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-[3-(1-Methylcyclopropyl)propyl]-2H-pyrano[2,3-d]pyrimidine-2,4,7(1H,3H)-trione
Synonyms
SCH900271
Database Links
GtoPdb PubChem SID 252166679
PubChem CID 56950369
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